Information card for entry 8102463

Structure parameters

• Chemical name: 2,6-bis(<i>N</i>-methylbenzimidazol-2-yl)pyridine
• Formula: C21 H17 N5
• Calculated formula: C21 H17 N5
• SMILES: n1c(n(c2c1cccc2)C)c1nc(c2nc3c(n2C)cccc3)ccc1
• Title of publication: Refinement of crystal structure of 2,6-bis(N-methylbenzimidazol-2-yl)pyridine at 153 K, C21H17N5
• Authors of publication: Huilu Wu; Xingcai Huang; Jingkun Yuan; Jian Ding; Ruirui Yun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 419
• a: 18.1415 ± 0.0016 Å
• b: 9.1274 ± 0.0008 Å
• c: 20.0652 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3322.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No